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3-(4-CHLOROPHENYL)-3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1-PHENYL-1-PROPANONE
SpectraBase Compound ID 19GFJYKF02L
InChI InChI=1S/C32H25ClN4O/c33-26-18-16-22(17-19-26)27(20-28(38)23-10-4-1-5-11-23)29-30(24-12-6-2-7-13-24)36-32-34-21-35-37(32)31(29)25-14-8-3-9-15-25/h1-19,21,27,31H,20H2,(H,34,35,36)
InChIKey DUMAODZEHBGBNL-UHFFFAOYSA-N
Mol Weight 517.0 g/mol
Molecular Formula C32H25ClN4O
Exact Mass 516.171689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kf2BJQM54gD
Name 3-(4-CHLOROPHENYL)-3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1-PHENYL-1-PROPANONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H25ClN4O
InChI InChI=1S/C32H25ClN4O/c33-26-18-16-22(17-19-26)27(20-28(38)23-10-4-1-5-11-23)29-30(24-12-6-2-7-13-24)36-32-34-21-35-37(32)31(29)25-14-8-3-9-15-25/h1-19,21,27,31H,20H2,(H,34,35,36)
InChIKey DUMAODZEHBGBNL-UHFFFAOYSA-N
Literature Reference Author V.V.LIPSON,I.V.IGNATENKO,S.M.DESENKO,S.V.SHISHKINA,O.V.SHISH KIN,S.A.KOMYKHOV,N.V
Literature Reference Citation J.HETCYCL.CHEM.,40,1081(2003)
Literature Reference DOI 10.1002/jhet.5570400618
Molecular Weight 517.030 g/mol
Solvent DMSO-D6
Source File Reference UWMS22960